Geometry & MOs

Info

ID:

230105

PubChem CID:

87570200

Reduced:

N2O7C29H34 (1)

Stoich.:

A2B7C29D34 (1)

Weight, g/mol:

695.236445

ΔHf, kcal/mol:

-181.41

Dipole, Da:

7.53

IP(EA), eV:

 -8.46(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 4-[4-(dimethylcarbamoyl)-3-hydroxyphenoxy]benzoate

Drug info:

PubChemData

Smile

CCN(CC(COC1=CC=C(C=C1)/C(=C/C2=C(C=C(C=C2)OC)OC)/C(=O)N)O)OC3=CC=CC=C3OC

DOS

IR

Vibrations